N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide

C10H8N2O4S2 — CID 140565094

IUPACN-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1cncs1
InChIInChI=1S/C10H8N2O4S2/c13-18(14,10-4-11-5-17-10)12-7-1-2-8-9(3-7)16-6-15-8/h1-5,12H,6H2
InChIKeyINJKNQXVTFIRIL-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.67
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide

N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 140565094) has the molecular formula C10H8N2O4S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide
PubChem CID140565094
Molecular FormulaC10H8N2O4S2
Molecular Weight284.32 g/mol
Exact Mass283.99
IUPAC NameN-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1cncs1
InChIInChI=1S/C10H8N2O4S2/c13-18(14,10-4-11-5-17-10)12-7-1-2-8-9(3-7)16-6-15-8/h1-5,12H,6H2
InChIKeyINJKNQXVTFIRIL-UHFFFAOYSA-N
XLogP1.67
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide (CID 140565094) is N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1cncs1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is INJKNQXVTFIRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S2/c13-18(14,10-4-11-5-17-10)12-7-1-2-8-9(3-7)16-6-15-8/h1-5,12H,6H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide?
N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 140565094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).